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DOI: 10.19061/iochem-bd-6-522
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Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1141 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -428.06010223; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1142 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.29413231; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1143 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.89013091; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1144 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.32738360; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1145 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.00240455; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1146 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.69344784; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1147 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.30024143; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1148 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.24714320; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1149 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.94783383; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_115 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.10871047; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1150 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.60250035; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1151 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.63082181; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1152 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.13065750; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1153 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.82118277; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1154 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.93974240; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1155 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.16692512; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1156 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.58716400; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1157 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.65293628; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1158 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.11234636; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1159 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.07034489; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 4380
